Combustion mechanisms

Experimental research has shown that a vapor cloud explosion can be described as a process of combustion-driven expansion flow with the turbulent structure of the flow acting as a positive feedback mechanism. Combustion, turbulence, and gas dynamics in this complicated process are closely interrelated. Computational research has explored the theoretical relations among burning speed, flame speed, combustion rates, geometry, and gas dynamics in gas explosions. 

Swaminathan, N. and R. W. Bilger (1997). Direct numerical simulation of turbulent nonpremixed hydrocarbon reaction zones using a two-step reduced mechanism. Combustion Science and Technology 127, 167-196. 

Taing, S., A. R. Masri, and S. B. Pope (1993). PDF calculations of turbulent nonpremixed flames of H2/CO2 using reduced chemical mechanisms. Combustion and Flame 95, 133-150. 

Chung, S.H., and F. A. Williams. 1990. Asymptotic structure and extinction of CO/H2 diffusion flames with reduced kinetic mechanisms. Combustion Flame 82 389-410. 

Using these methods, the elementary reaction steps that define a fuel s overall combustion can be compiled, generating an overall combustion mechanism. Combustion simulation software, like CHEMKIN, takes as input a fuel s combustion mechanism and other system parameters, along with a reactor model, and simulates a complex combustion environment (Fig. 4). For instance, one of CHEMKIN s applications can simulate the behavior of a flame in a given fuel, providing a wealth of information about flame speed, key intermediates, and dominant reactions. Computational fluid dynamics can be combined with detailed chemical kinetic models to also be able to simulate turbulent flames and macroscopic combustion environments. 

TM. Sloane. Ignition and Flame Progation Modeling with an Improved Methane Oxidation Mechanism. Combust. Sci. Techn., 63 287-313,1989. 

B. Bhattacharjee, D.A. Schwer, P.I. Barton, and W.H. Green Jr. Optimally-reduced kinetic models reaction elimination in large-scale kinetic mechanisms. Combustion and Flame, 135 191-208,2003. 

Computer programs THERGAS (estimation of thermodynamical data), KING AS (estimation of kinetic data), EXGAS (generation of combustion mechanisms). Combustion mechanisms of alkanes, alkenes, ethers, cyclanes and mixtures thereof are available upon request. 

A. Umemura, S. Takamori Percolation theory for flame propagation in non-or less-volatile fuel spray a conceptual analysis to group combustion excitation mechanism. Combust. Flame, 141, 336-349 (2005). 

Pepiot-Desjardins, P. Pitsch, H. (2008). An efficient error-propagation-based reduction method for large chemical kinetic mechanisms. Combustion and Flame Vol (154) pp 67-81... 

Physics chemistry electrochemistry thermodynamics heat and mass transfer fluid mechanics combustion materials science chemical engineering mechanical engineering electrical engineering systems engineering advanced energy conversion. 

Kinetics is the study of the speed of reactions and their mechanisms. Combustion is a complex free-radical process in which many reactions can occur and in which a complex mixture of products forms. The pathways favored and resulting products depend on which reactions are favored under the given conditions. In turn, the speed of a reaction is tiie key in differentiating deflagration from explosion. 

Olm, C., Zsely, I.G., Palvolgyi, R Varga, T Nagy, T., Curran, RJ., Turanyi, T. Comparison of the performance of several recent hydrogen combustion mechanisms. Combust Flame 161, 2219-2234 (2014)... 

He, K., lerapetritou, M.G., Androulakis, I.P. A graph-based approach to developing adaptive representations of complex reaction mechanisms. Combust. Flame 155, 585-604 (2008)... 

Gou, X., Chen, Z., Sun, W., Ju, Y. A dynamic adaptive chemistry scheme with error control for combustion modeling with a large detailed mechanism. Combust. Flame 160, 225-231 (2013) Goussis, D.A. Quasi steady state and partial equilibrium approximations their relation and their validity. Combust. TheOTy Model. 16, 869-926 (2012)... 

Lu, T., Law, C.K. On the applicability of directed relation graphs to the reduction of reaction mechanisms. Combust Flame 146,472-483 (2006b)... 

Mirgolbabaei, H., Echekki, T., Smaoui, N. A nonlinear principal component analysis approach for turbulent combustion composition space. Int. J. Hydrogen Energy 39, 4622—4633 (2014) Mitsos, A., Oxberry, G.M., Barton, P.I., Gretai, W.H. Optimal automatic reactirm and species elimination in kinetic mechanisms. Combust. Flame 155, 118—132 (2008)... 

Peters, N., Kee, R.J. The computation of stretched laminar methane-air diffusion flames using a reduced four-step mechanism. Combust. Flame 68, 17-29 (1987)... 

Tosatto, L., Bennett, B.A.V., Smooke, M.D. A transport-flux-based directed relation graph method for the spatially inhomogeneous instantaneous reduction of chemical kinetic mechanisms. Combust. Flame 158, 820-835 (2011)... 

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